N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine

C11H22N2O2S — CID 114472064

IUPACN-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
SMILESC=C(C)CCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O2S/c1-10(2)4-7-12-11-5-8-13(9-6-11)16(3,14)15/h11-12H,1,4-9H2,2-3H3
InChIKeyANYDAUDEIOHRCT-UHFFFAOYSA-N
MW246.38 g/mol
LogP0.97
Rot. Bonds5

About N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine

N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine (PubChem CID 114472064) has the molecular formula C11H22N2O2S and a molecular weight of 246.38 g/mol. Its IUPAC name is N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
PubChem CID114472064
Molecular FormulaC11H22N2O2S
Molecular Weight246.38 g/mol
Exact Mass246.14
IUPAC NameN-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine
SMILESC=C(C)CCNC1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H22N2O2S/c1-10(2)4-7-12-11-5-8-13(9-6-11)16(3,14)15/h11-12H,1,4-9H2,2-3H3
InChIKeyANYDAUDEIOHRCT-UHFFFAOYSA-N
XLogP0.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(1-methylsulfonylpiperidin-4-yl)amino]ethyl]acetamide
CID 102673469
5-[(1-methylsulfonylpiperidin-4-yl)amino]pentanamide
CID 114239295
N-(3-ethylsulfonylpropyl)-1-methylsulfonylpiperidin-4-amine
CID 65093523
1-methylsulfonyl-N-(3-pyrrolidin-1-ylpropyl)piperidin-4-amine
CID 61493973
N-(4-methylpentyl)-1-methylsulfonylpiperidin-4-amine
CID 81302082
N-(3-chloro-2-methylprop-2-enyl)-1-methylsulfonylpiperidin-4-amine
CID 106437494
1-[(1-methylsulfonylpiperidin-4-yl)amino]butan-2-ol
CID 60887095
1-methylsulfonyl-N-[2-(oxolan-2-yl)ethyl]piperidin-4-amine
CID 65163671
N-(6-methylhept-6-enyl)cyclopropanamine
CID 114477275
N-[2-(2,6-dimethylphenyl)ethyl]-1-methylsulfonylpiperidin-4-amine
CID 84595460
N-[2-(2-methylprop-2-enoxy)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 115699662
2-[[(1-methylsulfonylpiperidin-4-yl)amino]methyl]phenol
CID 43628772

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine?
The IUPAC name of N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine (CID 114472064) is N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine.
What is the SMILES notation for N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine?
The canonical SMILES for N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine is C=C(C)CCNC1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine?
The InChIKey is ANYDAUDEIOHRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2S/c1-10(2)4-7-12-11-5-8-13(9-6-11)16(3,14)15/h11-12H,1,4-9H2,2-3H3.
What are the key properties of N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine?
N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine has a molecular weight of 246.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-3-enyl)-1-methylsulfonylpiperidin-4-amine is sourced from PubChem (CID 114472064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).